Information card for entry 2223037

Structure parameters

• Chemical name: 3-(3,4-Dichlorophenyl)-1-(2-naphthyl)prop-2-en-1-one
• Formula: C19 H12 Cl2 O
• Calculated formula: C19 H12 Cl2 O
• SMILES: O=C(c1ccc2c(c1)cccc2)/C=C/c1ccc(c(c1)Cl)Cl
• Title of publication: 3-(3,4-Dichlorophenyl)-1-(2-naphthyl)prop-2-en-1-one
• Authors of publication: Lu, Zhi-Ke; Feng, Yan; Li, Shen; Diao, Hai-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2299
• a: 7.5273 ± 0.001 Å
• b: 11.5212 ± 0.0014 Å
• c: 33.301 ± 0.004 Å
• α: 92.338 ± 0.007°
• β: 96.469 ± 0.007°
• γ: 90.125 ± 0.006°
• Cell volume: 2867.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes